4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide

C16H16N2O3 — CID 1090583

IUPAC4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-14-6-4-12(5-7-14)15(19)8-9-16(20)18-13-3-2-10-17-11-13/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeySOCXCXVZTJYKFK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.69
Rot. Bonds6

About 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide

4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide (PubChem CID 1090583) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide
PubChem CID1090583
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-14-6-4-12(5-7-14)15(19)8-9-16(20)18-13-3-2-10-17-11-13/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeySOCXCXVZTJYKFK-UHFFFAOYSA-N
XLogP2.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide (CID 1090583) is 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide is COc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide?
The InChIKey is SOCXCXVZTJYKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-14-6-4-12(5-7-14)15(19)8-9-16(20)18-13-3-2-10-17-11-13/h2-7,10-11H,8-9H2,1H3,(H,18,20).
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide?
4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide has a molecular weight of 284.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 1090583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).